(phenylmethyl) 7-(2-methoxycarbonylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 7-(2-methoxycarbonylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Openeye Name: benzyl 7-(2-methoxycarbonylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate CAS Name: 7-(2-methoxycarbonylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-(2-methoxycarbonylphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylate Traditional Name: 7-(2-carbomethoxyphenyl)-2,3,4,5-tetrahydroazepine-1-carboxylic acid benzyl ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CCCCCN2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CCCCCN2C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO4/c1-26-21(24)19-13-8-7-12-18(19)20-14-6-3-9-15-23(20)22(25)27-16-17-10-4-2-5-11-17/h2,4-5,7-8,10-14H,3,6,9,15-16H2,1H3